Geometry & MOs

Info

ID:	57527
PubChem CID:	22402449
Reduced:	NO2H15C16 (2)
Stoich.:	AB2C15D16 (2)
Weight, g/mol:	604.242081
ΔH_f, kcal/mol:	-66.25
Dipole, Da:	4.45
IP(EA), eV:	-8.65(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3,4-dihydroxy-5-[1-hydroxy-2,2-bis(4-methoxyphenyl)-2-phenylethyl]-4-(1-methoxyethyl)oxolan-2-yl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C2=C(CN(C(C2)C(=O)O)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C=C1)NCC5=CC=CC=C5

DOS

IR

Vibrations